-
1
-
-
33644639744
-
TRP channels in disease
-
re8, 1-9
-
Nilius, B.; Voets, T.; Peters, J. TRP channels in disease. Sci. STKE 2005, 2005, re8, 1-9.
-
(2005)
Sci. STKE
, vol.2005
-
-
Nilius, B.1
Voets, T.2
Peters, J.3
-
2
-
-
0036183319
-
Molecular basis for species-specific sensitivity to "hot" chili peppers
-
Jordt, S.-E.; Julius, D. Molecular basis for species-specific sensitivity to "hot" chili peppers. Cell 2002, 108, 421-430.
-
(2002)
Cell
, vol.108
, pp. 421-430
-
-
Jordt, S.-E.1
Julius, D.2
-
3
-
-
2442498381
-
Molecular determinants of vanilloid sensitivity in TRPV1
-
Gavva, N.; Klionsky, L.; Qu, Y.; Shi, L.; Tamir, R.; Edenson, S.; Zhang, T. J.; Viswanadhan, V. N.; Toth, A.; Pearce, L. V.; Vanderah, T. W.; Porecca, F.; Blumberg, P. M.; Lile, J.; Sun, Y.; Wild, K.; Louis, J.-C.; Treanor, J. J. S. Molecular determinants of vanilloid sensitivity in TRPV1. J. Biol. Chem. 2004, 279, 20283-20295.
-
(2004)
J. Biol. Chem
, vol.279
, pp. 20283-20295
-
-
Gavva, N.1
Klionsky, L.2
Qu, Y.3
Shi, L.4
Tamir, R.5
Edenson, S.6
Zhang, T.J.7
Viswanadhan, V.N.8
Toth, A.9
Pearce, L.V.10
Vanderah, T.W.11
Porecca, F.12
Blumberg, P.M.13
Lile, J.14
Sun, Y.15
Wild, K.16
Louis, J.-C.17
Treanor, J.J.S.18
-
4
-
-
0032101210
-
A capsaicin-receptor antagonist, capsazepine, reduces inflammation-induced hyperalgesic responses in the rat: Evidence for an endogenous capsaicin-like substance
-
Kwak, J. Y.; Jung, J. Y.; Hwang, S. W.; Lee, W. T.; Oh, U. A capsaicin-receptor antagonist, capsazepine, reduces inflammation-induced hyperalgesic responses in the rat: Evidence for an endogenous capsaicin-like substance. Neuroscience 1998, 86, 619-626.
-
(1998)
Neuroscience
, vol.86
, pp. 619-626
-
-
Kwak, J.Y.1
Jung, J.Y.2
Hwang, S.W.3
Lee, W.T.4
Oh, U.5
-
5
-
-
0030781343
-
Ruthenium red and capsazepine antinociceptive effect in formalin and capsaicin models of pain in mice
-
Santos, A. R.; Calixto, J. B. Ruthenium red and capsazepine antinociceptive effect in formalin and capsaicin models of pain in mice. Neurosci. Lett. 1997, 235, 73-76.
-
(1997)
Neurosci. Lett
, vol.235
, pp. 73-76
-
-
Santos, A.R.1
Calixto, J.B.2
-
6
-
-
0037215646
-
The VR1 antagonist capsazepine reverses mechanical hyperalgesia in models of inflammatory and neuropathic pain
-
Walker, K. M.; Urban, L.; Medhurst, S. J.; Patel, S.; Panesar, M.; Fox, A. J.; McIntyre, P. The VR1 antagonist capsazepine reverses mechanical hyperalgesia in models of inflammatory and neuropathic pain. J. Pharmacol. Exp. Ther. 2003, 304, 56-62.
-
(2003)
J. Pharmacol. Exp. Ther
, vol.304
, pp. 56-62
-
-
Walker, K.M.1
Urban, L.2
Medhurst, S.J.3
Patel, S.4
Panesar, M.5
Fox, A.J.6
McIntyre, P.7
-
7
-
-
4644339264
-
TRPV1 and the gut: From a tasty receptor for a painful vanilloid to a key player in hyperalgesia
-
Holzer, P. TRPV1 and the gut: From a tasty receptor for a painful vanilloid to a key player in hyperalgesia. Eur. J. Pharmacol. 2004, 500, 231-241.
-
(2004)
Eur. J. Pharmacol
, vol.500
, pp. 231-241
-
-
Holzer, P.1
-
8
-
-
0029319957
-
Quantitative structure-agonist activity relationships of capsaicin analogues
-
Klopman, G.; Li, J. Quantitative structure-agonist activity relationships of capsaicin analogues. J. Comput.-Aided Mol. Des. 1995, 9, 283-294.
-
(1995)
J. Comput.-Aided Mol. Des
, vol.9
, pp. 283-294
-
-
Klopman, G.1
Li, J.2
-
9
-
-
0031260659
-
Using artificial neural networks to classify the activity of capsaicin and its analogues
-
Hosseini, M.; Maddalena, D. J.; Spence, I. Using artificial neural networks to classify the activity of capsaicin and its analogues. J. Chem. Inf. Comput. Sci. 1997, 37, 1129-1137.
-
(1997)
J. Chem. Inf. Comput. Sci
, vol.37
, pp. 1129-1137
-
-
Hosseini, M.1
Maddalena, D.J.2
Spence, I.3
-
10
-
-
10744220213
-
Identification and characterisation of SB-366791, a potent and selective vanilloid receptor (VR1/TRPV1) antagonist
-
Gunthorpe, M. J.; Rami, H. K.; Jerman, J. C.; Smart, D.; Gill, C. H.; Soffin, E. M.; Hannan, S. L.; Lappin, S. C.; Egerton, J.; Smith, G. D.; Worby, A.; Howett, L.; Owen, D.; Nasir, S.; Davies, C. H.; Thompson, M.; Wyman, P. A.; Randall, A. D.; Davis, J., B. Identification and characterisation of SB-366791, a potent and selective vanilloid receptor (VR1/TRPV1) antagonist. Neuropharmacology 2004, 46, 133-149.
-
(2004)
Neuropharmacology
, vol.46
, pp. 133-149
-
-
Gunthorpe, M.J.1
Rami, H.K.2
Jerman, J.C.3
Smart, D.4
Gill, C.H.5
Soffin, E.M.6
Hannan, S.L.7
Lappin, S.C.8
Egerton, J.9
Smith, G.D.10
Worby, A.11
Howett, L.12
Owen, D.13
Nasir, S.14
Davies, C.H.15
Thompson, M.16
Wyman, P.A.17
Randall, A.D.18
Davis, J.B.19
-
11
-
-
19944428963
-
Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides
-
Doherty, E. M.; Fotsch, C.; Bo, Y.; Chakrabarti, P. P.; Chen, N.; Gavva, N.; Han, N.; Kelly, M. G.; Kincaid, J.; Klionsky, L.; Liu, Q.; Ognayanov, V.; Tamir, R.; Wang, X.; Zhu, J.; Norman, M. H.; Treanor, J. J. S. Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides. J. Med. Chem. 2005, 48, 71-90.
-
(2005)
J. Med. Chem
, vol.48
, pp. 71-90
-
-
Doherty, E.M.1
Fotsch, C.2
Bo, Y.3
Chakrabarti, P.P.4
Chen, N.5
Gavva, N.6
Han, N.7
Kelly, M.G.8
Kincaid, J.9
Klionsky, L.10
Liu, Q.11
Ognayanov, V.12
Tamir, R.13
Wang, X.14
Zhu, J.15
Norman, M.H.16
Treanor, J.J.S.17
-
12
-
-
34547573343
-
Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides
-
Norman, M. H.; Fotsch, C.; Bo, Y.; Chen, N.; Chakrabarthi, P.; Doherty, E. M.; Gavva, N. R.; Nishimura, N.; Nixey, T.; Ognayanov, V. I.; Rzasa, R. M.; Stec, M.; Surapaneni, S.; Tamir, R.; Viswanadhan, V. N.; Treanor, J. J. S. Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides. J. Med. Chem. 2007, 50, 3497-3514.
-
(2007)
J. Med. Chem
, vol.50
, pp. 3497-3514
-
-
Norman, M.H.1
Fotsch, C.2
Bo, Y.3
Chen, N.4
Chakrabarthi, P.5
Doherty, E.M.6
Gavva, N.R.7
Nishimura, N.8
Nixey, T.9
Ognayanov, V.I.10
Rzasa, R.M.11
Stec, M.12
Surapaneni, S.13
Tamir, R.14
Viswanadhan, V.N.15
Treanor, J.J.S.16
-
13
-
-
0023751431
-
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
-
Cramer, R. D., III; Patterson, D. E.; Bunce, J. E. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc
, vol.110
, pp. 5959-5967
-
-
Cramer III, R.D.1
Patterson, D.E.2
Bunce, J.E.3
-
14
-
-
0027944195
-
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
-
Klebe, G.; Abraham, U.; Mietzner, T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J. Med. Chem. 1994, 37, 4130-4146.
-
(1994)
J. Med. Chem
, vol.37
, pp. 4130-4146
-
-
Klebe, G.1
Abraham, U.2
Mietzner, T.3
-
15
-
-
85128245996
-
-
Cho, S.-J.; Sun, Y. FLAME: A program to flexibly align molecules. J. Inf. Model. 2006, 46, 298-306. FLAME is implemented as a C++ program, using OpenEye toolkits, OEChem and CASE, available at http://www.eyesopen.com.
-
Cho, S.-J.; Sun, Y. FLAME: A program to flexibly align molecules. J. Inf. Model. 2006, 46, 298-306. FLAME is implemented as a C++ program, using OpenEye toolkits, OEChem and CASE, available at http://www.eyesopen.com.
-
-
-
-
17
-
-
0344778061
-
Semianalytic treatment of solvation for molecular mechanics and dynamics
-
Still, W. C.; Tempczyk.; A.; Hawley, R. C.; Hendrickson, T. Semianalytic treatment of solvation for molecular mechanics and dynamics. J. Am. Chem. Soc. 1990, 112, 6127-6129.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 6127-6129
-
-
Still, W.C.1
Tempczyk, A.2
Hawley, R.C.3
Hendrickson, T.4
-
18
-
-
36148982142
-
-
Tripos Associates, Inc. Sybyl, 7.1 ed.; St. Louis, MO.
-
Tripos Associates, Inc. Sybyl, 7.1 ed.; St. Louis, MO.
-
-
-
-
19
-
-
36148960751
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Zakrzewski, V. G, Montgomery, J. A, Jr, Stratmann, R. E, Burant, J. C, Dapprich, S, Millam, J. M, Daniels, A. D, Kudin, K. N, Strain, M. C, Farkas, O, Tomasi, J, Barone, V, Cossi, M, Cammi, R, Mennucci, B, Pomelli, C, Adamo, C, Clifford, S, Ochterski, J, Petersson, G. A, Ayala, P. Y, Cui, Q, Morokuma, K, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Cioslowski, J, Ortiz, J. V, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Gomperts, R, Martin, R. L, Fox, D. J, Keith, T, Al-Laham, M. A, Peng, C. Y, Nanayakkara, A, Gonzalez, C, Challacombe, M, Gill, P. M. W, Johnson, B. G, Chen, W, Wong, M. W, Andres, J. L, Head-Gordon, M, Replogle, E. S, Pople, J. A. Gaussian 98, revision A.11.3; Gaussian, Inc, Pittsburgh, PA, 1998
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.3; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
-
-
-
20
-
-
20144362216
-
AMG 9810 [(E)-3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo[b]-[1, 4]dioxin-6-yl)acrylamide], a novel vanilloid receptor 1 (TRPV1) antagonist with antihyperalgesic properties
-
Gavva, N.; Tamir, R.; Qu, Y.; Klionsky, L.; Zhang, T. J.; Immke, D.; Wang, J.; Zhu, D.; Vanderah, T. W.; Prreca, F.; Doherty, E. M.; Norman, M. H.; Wild, K. D.; Bannon, A. W.; Louis, J.-C.; Treanor, J. J. S. AMG 9810 [(E)-3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo[b]-[1, 4]dioxin-6-yl)acrylamide], a novel vanilloid receptor 1 (TRPV1) antagonist with antihyperalgesic properties. J. Pharm. Exp. Ther. 2005, 313, 474-484.
-
(2005)
J. Pharm. Exp. Ther
, vol.313
, pp. 474-484
-
-
Gavva, N.1
Tamir, R.2
Qu, Y.3
Klionsky, L.4
Zhang, T.J.5
Immke, D.6
Wang, J.7
Zhu, D.8
Vanderah, T.W.9
Prreca, F.10
Doherty, E.M.11
Norman, M.H.12
Wild, K.D.13
Bannon, A.W.14
Louis, J.-C.15
Treanor, J.J.S.16
-
21
-
-
0001797110
-
Rapid generation of high quality approximate 3D molecular structures
-
Pearlman, R. S. Rapid generation of high quality approximate 3D molecular structures. Chem. Des. Aut. News 1987, 1, 5-7.
-
(1987)
Chem. Des. Aut. News
, vol.1
, pp. 5-7
-
-
Pearlman, R.S.1
-
22
-
-
36148930509
-
A Program for the rapid generation of high quality approximate 3-dimensional molecular structures
-
63144, U.S.A
-
Rusinko, A., III.; Skell, J. M.; Balducci, R.; Pearlman, R. S. A Program for the rapid generation of high quality approximate 3-dimensional molecular structures; Abstracts of 192nd American Chemical Society Meeting, Anaheim, CA, 1986; CONCORD is distributed by Tripos International, St. Louis, MO 63144, U.S.A.; www.tripos.com.
-
Abstracts of 192nd American Chemical Society Meeting, Anaheim, CA, 1986; CONCORD is distributed by Tripos International, St. Louis, MO
-
-
Rusinko III, A.1
Skell, J.M.2
Balducci, R.3
Pearlman, R.S.4
-
23
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges
-
Gasteiger, J.; Marsili, M. Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges. Tetrahedron 1980, 36, 3219-3228.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
-
24
-
-
0001041959
-
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method
-
Jakalian, A.; Bush, B. L.; Jack, D. B.; Bayly, C. I. Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method. J. Comput. Chem. 2000, 21, 132-146.
-
(2000)
J. Comput. Chem
, vol.21
, pp. 132-146
-
-
Jakalian, A.1
Bush, B.L.2
Jack, D.B.3
Bayly, C.I.4
-
25
-
-
0024716284
-
Atomic physico-chemical properties for three dimensional quantitative structure-activity relationships. IV. Additional parameters for hydrophobic and dispersive interactions and their appplication for the superposition of certain naturally occurring antibiotics
-
Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. Atomic physico-chemical properties for three dimensional quantitative structure-activity relationships. IV. Additional parameters for hydrophobic and dispersive interactions and their appplication for the superposition of certain naturally occurring antibiotics. J. Chem. Inf. Comput. Sci. 1989, 29, 163-172.
-
(1989)
J. Chem. Inf. Comput. Sci
, vol.29
, pp. 163-172
-
-
Viswanadhan, V.N.1
Ghose, A.K.2
Revankar, G.R.3
Robins, R.K.4
-
26
-
-
0027672324
-
Sample-distance partial least squares: PLS optimized for many variables
-
Bush, B. L.; Nachbar, J., R. B. Sample-distance partial least squares: PLS optimized for many variables. J. Comput.-Aided Mol. Des. 1993, 7, 587-619.
-
(1993)
J. Comput.-Aided Mol. Des
, vol.7
, pp. 587-619
-
-
Bush, B.L.1
Nachbar, J.R.B.2
-
27
-
-
0029655006
-
Cross-validated R2-guided region selection for comparative molecular field analysis: A simple method to achieve consistent results
-
Cho, S. J; Tropsha, A. Cross-validated R2-guided region selection for comparative molecular field analysis: A simple method to achieve consistent results. J. Med. Chem. 1995, 38, 1060-1066.
-
(1995)
J. Med. Chem
, vol.38
, pp. 1060-1066
-
-
Cho, S.J.1
Tropsha, A.2
-
28
-
-
0034676326
-
HIV-1 protease inhibitors: Influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models
-
Jayatilleka, P. R. N.; Nair, A. C.; Zauhar, R.; Welsh, W. J. HIV-1 protease inhibitors: Influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. J. Med. Chem. 2000, 43, 4446-2251.
-
(2000)
J. Med. Chem
, vol.43
, pp. 4446-2251
-
-
Jayatilleka, P.R.N.1
Nair, A.C.2
Zauhar, R.3
Welsh, W.J.4
-
29
-
-
3042524904
-
-
Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model. J. Phys. Chem. 1993, 97, 10269-10280.
-
Bayly, C. I.; Cieplak, P.; Cornell, W. D.; Kollman, P. A. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: The RESP model. J. Phys. Chem. 1993, 97, 10269-10280.
-
-
-
-
30
-
-
1542267774
-
Resiniferatoxin binds to the capsaicin receptor (TRPV1) near extracellular side of the S4 transmembrane domain
-
Chou, M. Z.; Mtui, T.; Gao, Y.-D.; Kohler, M.; Middleton, R. E. Resiniferatoxin binds to the capsaicin receptor (TRPV1) near extracellular side of the S4 transmembrane domain. Biochemistry 2004, 43, 2501-2511.
-
(2004)
Biochemistry
, vol.43
, pp. 2501-2511
-
-
Chou, M.Z.1
Mtui, T.2
Gao, Y.-D.3
Kohler, M.4
Middleton, R.E.5
-
31
-
-
0027291395
-
-
Walpole, C. S.; Wrigglesworth, R.; Bevan, S.; Campbell, E. A.; Dray, A.; James, I. F.; Perkins, M. N.; Reid, D. J.; Winter, J. Analogues of capsaicin with agonist activity as novel analgesic agents: Structure-activity studies. 1. The aromatic A-region. J. Med. Chem. 1993, 36, 2362-2372.
-
Walpole, C. S.; Wrigglesworth, R.; Bevan, S.; Campbell, E. A.; Dray, A.; James, I. F.; Perkins, M. N.; Reid, D. J.; Winter, J. Analogues of capsaicin with agonist activity as novel analgesic agents: Structure-activity studies. 1. The aromatic "A-region". J. Med. Chem. 1993, 36, 2362-2372.
-
-
-
-
32
-
-
27844465429
-
Proton activation does not alter antagonist interaction with the capsaicin-binding pocket of TRPV1
-
Gavva, N. R.; Tamir, R.; Klinosky, L.; Norman, M. H.; Louis, J.-C.; Wild, K.; Treanor, J. J. S. Proton activation does not alter antagonist interaction with the capsaicin-binding pocket of TRPV1. J. Med. Chem. 2005, 68, 1524-1533.
-
(2005)
J. Med. Chem
, vol.68
, pp. 1524-1533
-
-
Gavva, N.R.1
Tamir, R.2
Klinosky, L.3
Norman, M.H.4
Louis, J.-C.5
Wild, K.6
Treanor, J.J.S.7
-
33
-
-
23644447370
-
-
Lee, J.; Jin, M.-K.; Kang, S.-U.; Kim, S. Y.; Lee, J.; Shin, M.; Hwang, J.; Cho, S.; Choi, Y.-S.; Choi, H.-K.; Kim, S.-E.; Suh, Y.-G.; Lee, Y.-S.; Kim, Y.-H.; Ha, H.-J.; Toth, A.; Pearce, L. V.; Tran, R.; Szabo, T.; Welter, J. D.; Lundberg, D. J.; Wang, Y.; Lazar, J.; Pavlyukovets, V. A.; Morgan, M. A.; Blumberg, P. M. Analysis of structure-activity relationships for the B-region of N-(4-t-butylbenzyl)-N′-[4- (methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists. Bioorg. Med. Chem. Lett. 2005, 4143-4150
-
Lee, J.; Jin, M.-K.; Kang, S.-U.; Kim, S. Y.; Lee, J.; Shin, M.; Hwang, J.; Cho, S.; Choi, Y.-S.; Choi, H.-K.; Kim, S.-E.; Suh, Y.-G.; Lee, Y.-S.; Kim, Y.-H.; Ha, H.-J.; Toth, A.; Pearce, L. V.; Tran, R.; Szabo, T.; Welter, J. D.; Lundberg, D. J.; Wang, Y.; Lazar, J.; Pavlyukovets, V. A.; Morgan, M. A.; Blumberg, P. M. Analysis of structure-activity relationships for the "B-region" of N-(4-t-butylbenzyl)-N′-[4- (methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists. Bioorg. Med. Chem. Lett. 2005, 4143-4150
-
-
-
-
34
-
-
84906381446
-
-
Accelrys, Inc, San Diego, CA
-
Insight II; Accelrys, Inc.: San Diego, CA (www.accelrys.com).
-
Insight II
-
-
-
35
-
-
36148998422
-
Improving docking accuracy through molecular mechanics generalized Born optimization and scoring
-
Lee, M.; Sun, Y. Improving docking accuracy through molecular mechanics generalized Born optimization and scoring. J. Chem. Theory Comput. 2007, 3, 1106-1119.
-
(2007)
J. Chem. Theory Comput
, vol.3
, pp. 1106-1119
-
-
Lee, M.1
Sun, Y.2
-
36
-
-
0021107965
-
Solvent accessible surfaces of proteins and nucleic acids
-
Connolly, M. L. Solvent accessible surfaces of proteins and nucleic acids. Science 1983, 221, 709-713.
-
(1983)
Science
, vol.221
, pp. 709-713
-
-
Connolly, M.L.1
-
37
-
-
0000381930
-
Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: An analysis of ALOGP and CLOGP methods
-
Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: An analysis of ALOGP and CLOGP methods. J. Phys. Chem. A 1998, 102, 3762-3772.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 3762-3772
-
-
Ghose, A.K.1
Viswanadhan, V.N.2
Wendoloski, J.J.3
|